8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-1,2,3,4a,5,6,7,8a-octahydronaphthalen-1-ol

C16H30O2 — CID 6420609

IUPAC8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-1,2,3,4a,5,6,7,8a-octahydronaphthalen-1-ol
SMILESCC1CCC2C(C(O)CCC2(C)C)C1(C)CCO
InChIInChI=1S/C16H30O2/c1-11-5-6-12-14(16(11,4)9-10-17)13(18)7-8-15(12,2)3/h11-14,17-18H,5-10H2,1-4H3
InChIKeyQZLGFTBIUCLIBR-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.22
Rot. Bonds2

About 8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-1,2,3,4a,5,6,7,8a-octahydronaphthalen-1-ol

8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-1,2,3,4a,5,6,7,8a-octahydronaphthalen-1-ol (PubChem CID 6420609) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-1,2,3,4a,5,6,7,8a-octahydronaphthalen-1-ol.

Molecular Properties

Compound Name8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-1,2,3,4a,5,6,7,8a-octahydronaphthalen-1-ol
PubChem CID6420609
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-1,2,3,4a,5,6,7,8a-octahydronaphthalen-1-ol
SMILESCC1CCC2C(C(O)CCC2(C)C)C1(C)CCO
InChIInChI=1S/C16H30O2/c1-11-5-6-12-14(16(11,4)9-10-17)13(18)7-8-15(12,2)3/h11-14,17-18H,5-10H2,1-4H3
InChIKeyQZLGFTBIUCLIBR-UHFFFAOYSA-N
XLogP3.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-1,2,3,4a,5,6,7,8a-octahydronaphthalen-1-ol?
The IUPAC name of 8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-1,2,3,4a,5,6,7,8a-octahydronaphthalen-1-ol (CID 6420609) is 8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-1,2,3,4a,5,6,7,8a-octahydronaphthalen-1-ol.
What is the SMILES notation for 8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-1,2,3,4a,5,6,7,8a-octahydronaphthalen-1-ol?
The canonical SMILES for 8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-1,2,3,4a,5,6,7,8a-octahydronaphthalen-1-ol is CC1CCC2C(C(O)CCC2(C)C)C1(C)CCO.
What is the InChIKey of 8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-1,2,3,4a,5,6,7,8a-octahydronaphthalen-1-ol?
The InChIKey is QZLGFTBIUCLIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-11-5-6-12-14(16(11,4)9-10-17)13(18)7-8-15(12,2)3/h11-14,17-18H,5-10H2,1-4H3.
What are the key properties of 8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-1,2,3,4a,5,6,7,8a-octahydronaphthalen-1-ol?
8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-1,2,3,4a,5,6,7,8a-octahydronaphthalen-1-ol has a molecular weight of 254.41 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyethyl)-4,4,7,8-tetramethyl-1,2,3,4a,5,6,7,8a-octahydronaphthalen-1-ol is sourced from PubChem (CID 6420609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).